# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fe635d41-b990-4784-a11a-4755ddd7bb4b/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SrTiN2 / P4/nmm (129) / materials id 9517](https://mdr.nims.go.jp/datasets/f86e7483-4b8f-43a8-a5d5-075662561771) ## Fulltext elements: [N, Ti, Sr]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [14.01, 47.88, 87.62]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [9.587666783642911e+01, -2.160077177049372e-01, -3.590422212797917e+00, 4.683518932878144e+01, 4.144954078576118e+01, 1.129795947222231e+03, -6.597231868896182e+04, 6.555485524869157e+02, 5.273697135722387e+04, 2.075023880121680e+01, -4.934564245726636e+02, 6.553418365815577e+02, -4.852606967069106e+03, 1.686677504591302e+03, 6.309430769857971e+05, -2.209782768073078e+06, 9.985130718222221e+04, 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